methyl 3-nitro-4-[2-oxidanylidene-2-[[2-(trifluoromethyloxy)phenyl]methylamino]ethoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-[[2-(trifluoromethyloxy)phenyl]methylamino]ethoxy]benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethoxy]benzoate CAS Name: 3-nitro-4-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethoxy]benzoate Traditional Name: 4-[2-keto-2-[[2-(trifluoromethoxy)benzyl]amino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H15F3N2O7 MolecularWeight: 428.31611

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NCC2=CC=CC=C2OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NCC2=CC=CC=C2OC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15F3N2O7/c1-28-17(25)11-6-7-15(13(8-11)23(26)27)29-10-16(24)22-9-12-4-2-3-5-14(12)30-18(19,20)21/h2-8H,9-10H2,1H3,(H,22,24)